SIMILAR PATTERNS OF AMINO ACIDS FOR 3APT_B_ACTB311_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b5t PROTEIN
(METHYLENETETRAHYDRO
FOLATE REDUCTASE)

(Escherichia
coli) 		PF02219
(MTHFR) 		6 GLU A  28
HIS A  88
ALA A 150
ILE A 181
HIS A 273
TYR A 275
 FAD  A 395 ( 4.3A)
FAD  A 395 (-3.7A)
FAD  A 395 (-3.4A)
FAD  A 395 ( 4.0A)
None
None
 0.46A 3aptB-1b5tA:
29.4		 3aptB-1b5tA:
35.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		5 LEU A 238
ASP A 241
ALA A 232
ILE A 315
TYR A 310
 None
 1.40A 3aptB-1ii2A:
undetectable		 3aptB-1ii2A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iom CITRATE SYNTHASE

(Thermus
thermophilus) 		PF00285
(Citrate_synt) 		5 HIS A 258
ASP A 265
PRO A 266
ILE A  20
HIS A 184
 GOL  A 400 (-3.9A)
None
None
None
CO3  A 500 (-4.0A)
 1.17A 3aptB-1iomA:
undetectable		 3aptB-1iomA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 GLU A 115
HIS A  51
ASP A 255
ALA A 289
HIS A 127
 FE  A 401 (-2.6A)
None
None
None
FE  A 401 ( 4.8A)
 1.09A 3aptB-1o12A:
6.3		 3aptB-1o12A:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Thermus
thermophilus) 		PF02219
(MTHFR) 		7 GLU A  18
HIS A  77
LEU A 104
ALA A 147
ILE A 178
HIS A 270
TYR A 272
 FAD  A 300 ( 4.4A)
FAD  A 300 (-4.0A)
None
FAD  A 300 (-3.4A)
FAD  A 300 (-3.7A)
None
None
 0.51A 3aptB-1v93A:
36.8		 3aptB-1v93A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		5 LEU A 163
PRO A  90
ALA A  41
ILE A  44
TYR A  92
 None
 1.11A 3aptB-2qp2A:
undetectable		 3aptB-2qp2A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fo0 ACTIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF00022
(Actin) 		5 LEU A 220
ASP A  65
PRO A  68
ALA A  69
ILE A  60
 None
 1.24A 3aptB-4fo0A:
0.3		 3aptB-4fo0A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h3v OXIDOREDUCTASE
DOMAIN PROTEIN

(Kribbella
flavida) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ASP A 355
PRO A 356
ALA A 349
ILE A 350
HIS A  98
 None
 1.03A 3aptB-4h3vA:
undetectable		 3aptB-4h3vA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		5 HIS A 324
PRO A 320
ALA A 331
ILE A 330
TYR A 301
 None
 1.30A 3aptB-4kemA:
5.8		 3aptB-4kemA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjg HAPTOGLOBIN

(Homo sapiens) 		no annotation 5 LEU C 217
PRO C 215
ALA C 214
ILE C 213
HIS C 204
 None
 1.33A 3aptB-4wjgC:
undetectable		 3aptB-4wjgC:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce0 NATIVE CONSERPIN
WITH Z-VARIANT
(E342K)

(synthetic
construct) 		PF00079
(Serpin) 		5 HIS A  51
LEU A  55
ALA A  64
ILE A  66
HIS A  67
 None
 1.17A 3aptB-5ce0A:
undetectable		 3aptB-5ce0A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 GLU A 599
HIS A 443
ALA A 612
HIS A 586
TYR A 588
 MG  A 702 (-2.5A)
MG  A 702 (-3.3A)
None
None
None
 1.28A 3aptB-5hmqA:
4.2		 3aptB-5hmqA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		5 HIS A  69
LEU A 487
ALA A 145
ILE A 485
TYR A  41
 None
 1.42A 3aptB-5j55A:
undetectable		 3aptB-5j55A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLU A 321
HIS A  55
LEU A  16
ASP A  52
ILE A  13
 None
 1.40A 3aptB-5j9gA:
undetectable		 3aptB-5j9gA:
22.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Haemophilus
influenzae) 		PF02219
(MTHFR) 		6 GLU A  26
HIS A  86
ALA A 148
ILE A 179
HIS A 271
TYR A 273
 ACY  A 302 (-2.8A)
FAD  A 300 (-3.8A)
FAD  A 300 (-3.4A)
FAD  A 300 (-4.0A)
None
ACY  A 302 ( 4.0A)
 0.53A 3aptB-5umeA:
29.1		 3aptB-5umeA:
38.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6alk -

(-) 		no annotation 5 GLU A 139
HIS A  69
LEU A  85
ALA A  99
ILE A  98
 None
 1.01A 3aptB-6alkA:
undetectable		 3aptB-6alkA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 6 GLU A  63
HIS A 127
ALA A 195
ILE A 226
HIS A 319
TYR A 321
 FAD  A 701 ( 4.5A)
FAD  A 701 (-4.0A)
FAD  A 701 (-3.4A)
FAD  A 701 ( 4.2A)
None
None
 0.56A 3aptB-6fcxA:
32.5		 3aptB-6fcxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 7 GLU A  18
HIS A  78
LEU A 105
ALA A 150
ILE A 187
HIS A 284
TYR A 286
 FAD  A 701 ( 4.2A)
FAD  A 701 (-4.0A)
None
FAD  A 701 (-3.4A)
FAD  A 701 (-3.7A)
None
None
 0.43A 3aptB-6fnuA:
30.8		 3aptB-6fnuA:
undetectable